[gmx-users] Optimal Hardware for Gromacs
alexxyum at gmail.com
Sun May 2 20:46:26 CEST 2010
2010/5/2 David van der Spoel <spoel at xray.bmc.uu.se>
> On 2010-05-02 10.32, Alexey Shvetsov wrote:
>> Actualy suppermicro offers 4 socket machines with 12-core amd cpus so
>> you get 48cores in 1U
>> GROMACS perform well on such hardware =)
> Sure but a simple rule of thumb is that you want to maximize aggregate
> clockspeed per dollar. Such machines might be quite a bit more expensive
> than the simpler ones.
> Yes. But not in this case =) Opteron 61xx series costs about 1000$ per
unit. So 4 socket platform from supermicro will cost about 10k$.
>> In case of using Infiniband you need IB switch of dual port ib cards (to
>> connect machines as a 1d torus)
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
> spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru
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